- Formula: C5H10O
- Molecular weight: 86.1323
- IUPAC Standard InChI:
- Download the identifier in a file.
- IUPAC Standard InChIKey: XNLICIUVMPYHGG-UHFFFAOYSA-N
- CAS Registry Number: 107-87-9
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
- Other names: Ethyl acetone; Methyl n-propyl ketone; Methyl propyl ketone; Propyl methyl ketone; n-C3H7COCH3; Pentan-2-one; Metylopropyloketon; UN 1249; n-Propyl methyl ketone; Pentanone-2; NSC 5350
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Data at other public NIST sites:
Data at NIST subscription sites:
- NIST / TRC Web Thermo Tables, "lite" edition (thermophysical and thermochemical data)
- NIST / TRC Web Thermo Tables, professional edition (thermophysical and thermochemical data)
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Reaction thermochemistry data
Go To: Top, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
B - John E. Bartmess
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
RCD - Robert C. Dunbar
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
C5H9O- + =
By formula: C5H9O- + H+ = C5H10O
|rH°||1536. ± 8.8||kJ/mol||TDEq||Burkell, Fridgen, et al., 2003||gas phase; B|
|rG°||1505. ± 8.4||kJ/mol||TDEq||Burkell, Fridgen, et al., 2003||gas phase; B|
(CAS Reg. No. 117951-43-6 4294967295) + = CAS Reg. No. 117951-43-6
By formula: (CAS Reg. No. 117951-43-6 4294967295C5H10O) + C5H10O = CAS Reg. No. 117951-43-6
|rH°||167. ± 8.8||kJ/mol||N/A||Haas and Harrison, 1993||gas phase; Both metastable and 50 eV collision energy.; B|
+ = + 2
By formula: C7H16O2 + H2O = C5H10O + 2CH4O
|rH°||19.52 ± 0.059||kJ/mol||Cm||Wiberg and Squires, 1979||liquid phase; Heat of hydrolysis; ALS|
+ = ( )
By formula: Na+ + C5H10O = (Na+ C5H10O)
Free energy of reaction
|rG° (kJ/mol)||T (K)||Method||Reference||Comment|
|104.||298.||IMRE||McMahon and Ohanessian, 2000||Anchor alanine=39.89; RCD|
By formula: C5H12O = C5H10O + H2
|rH°||54.7 ± 0.3||kJ/mol||Eqk||Connett, 1970||liquid phase; ALS|
Go To: Top, Reaction thermochemistry data, Notes
Burkell, Fridgen, et al., 2003
Burkell, J.L.; Fridgen, T.D.; McMahon, T.B., Gas-phase acidities and sites of deprotonation of 2-ketones and structures of the corresponding enolates, Int. J. Mass Spectrom., 2003, 227, 3, 497-508, https://doi.org/10.1016/S1387-3806(03)00102-7 . [all data]
Haas and Harrison, 1993
Haas, M.J.; Harrison, A.G., The Fragmentation of Proton-Bound Cluster Ions and the Gas-Phase Acidities of Alcohols, Int. J. Mass Spectrom. Ion Proc., 1993, 124, 2, 115, https://doi.org/10.1016/0168-1176(93)80003-W . [all data]
Wiberg and Squires, 1979
Wiberg, K.B.; Squires, R.R., Thermodynamics of hydrolysis aliphatic ketals. An entropy component of steric effects, J. Am. Chem. Soc., 1979, 101, 5512-5515. [all data]
McMahon and Ohanessian, 2000
McMahon, T.B.; Ohanessian, G., An Experimental and Ab Initio Study of the Nature of the Binding in Gas-Phase Complexes of Sodium Ions, Chem. Eur. J., 2000, 6, 16, 2931, https://doi.org/10.1002/1521-3765(20000818)6:16<2931::AID-CHEM2931>3.0.CO;2-7 . [all data]
Connett, J.E., Chemical equilibria. Part III. Dehydrogenation of pentan-1-ol, pentan-2-ol, and 3-methylbutan-2-ol, J. Chem. Soc. A, 1970, 1284-1286. [all data]
Go To: Top, Reaction thermochemistry data, References
- Symbols used in this document:
T Temperature rG° Free energy of reaction at standard conditions rH° Enthalpy of reaction at standard conditions
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.